Affiliation:
1. Department of Physical Chemistry and Inorganic Chemistry IU-CINQUIMA University of Valladolid Paseo Belen 7 Valladolid 47011 Spain
2. Department of Physical Chemistry University of the Basque Country (UPV/EHU) B° Sarriena, S/N Leioa 48940 Spain
Abstract
AbstractThe structure of isolated 1‐chloronaphthalene has been investigated in a supersonic expansion by high‐resolution chirped‐pulse Fourier transform microwave (CP‐FTMW) spectroscopy in the 2–8 GHz frequency range. Accurate values of the rotational, centrifugal distortion, and nuclear quadrupole coupling constants for the only availabe conformer have been determined. The intensity of the spectrum allowed us to observe all the heavy atoms isotopologues in natural abundance, determining their rotational constants. From the extensive experimental dataset we derived accurate structures for 1‐chloronaphthalene using different methodologies and compared with related compounds.